Record Information |
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Version | 1.0 |
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Created at | 2023-10-13 12:04:03 UTC |
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Updated at | 2024-04-19 09:56:43 UTC |
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NP-MRD ID | NP0331963 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Eremolatane E |
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Description | It was first documented in 2023 (PMID: 37995131). Based on a literature review a significant number of articles have been published on (5R,7R,8S)-4,7-dihydroxy-8-[(2S)-7-methoxy-6-methyl-7-oxoheptan-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PMID: 37995130) (PMID: 37995129) (PMID: 37995128) (PMID: 37995127). |
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Structure | [H][C@](C)(CCCC(C)C(=O)OC)[C@]1([H])[C@H](O)C[C@@H](C)C2=C1C=C(C=C2O)C(O)=O InChI=1S/C21H30O6/c1-11(6-5-7-12(2)21(26)27-4)18-15-9-14(20(24)25)10-17(23)19(15)13(3)8-16(18)22/h9-13,16,18,22-23H,5-8H2,1-4H3,(H,24,25)/t11-,12?,13+,16+,18-/m0/s1 |
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Synonyms | Value | Source |
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(5R,7R,8S)-4,7-Dihydroxy-8-[(2S)-7-methoxy-6-methyl-7-oxoheptan-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate | Generator |
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Chemical Formula | C21H30O6 |
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Average Mass | 378.4650 Da |
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Monoisotopic Mass | 378.20424 Da |
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IUPAC Name | (5R,7R,8S)-4,7-dihydroxy-8-[(2S)-7-methoxy-6-methyl-7-oxoheptan-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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Traditional Name | (5R,7R,8S)-4,7-dihydroxy-8-[(2S)-7-methoxy-6-methyl-7-oxoheptan-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@](C)(CCCC(C)C(=O)OC)[C@]1([H])[C@H](O)C[C@@H](C)C2=C1C=C(C=C2O)C(O)=O |
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InChI Identifier | InChI=1S/C21H30O6/c1-11(6-5-7-12(2)21(26)27-4)18-15-9-14(20(24)25)10-17(23)19(15)13(3)8-16(18)22/h9-13,16,18,22-23H,5-8H2,1-4H3,(H,24,25)/t11-,12?,13+,16+,18-/m0/s1 |
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InChI Key | DXUHZGOSBQWAIZ-DPIUTPNESA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Maes I, Mertens L, Poppe L, Vetrovsky T, Crombez G, De Backere F, Brondeel R, Van Dyck D: Within-Person Associations of Accelerometer-Assessed Physical Activity With Time-Varying Determinants in Older Adults: Time-Based Ecological Momentary Assessment Study. JMIR Aging. 2023 Nov 23;6:e44425. doi: 10.2196/44425. [PubMed:37995131 ]
- Ashkenazi T, Cohen J: Posttraumatic growth among participating and non-participating organ donor families in grief support groups. Death Stud. 2023 Nov 23:1-8. doi: 10.1080/07481187.2023.2285933. [PubMed:37995130 ]
- Orchowski LM, Merrill JE, Oesterle DW, Barnett NP, Borsari B, Zlotnick C, Haikalis MP, Bekowitz AD: Integrated Alcohol Use and Sexual Assault Prevention Program for College Men Who Engage in Heavy Drinking: Randomized Pilot Study. JMIR Form Res. 2023 Nov 23;7:e47354. doi: 10.2196/47354. [PubMed:37995129 ]
- Quintal A, Carreau I, Grenier AD, Hebert C, Yergeau C, Berthiaume Y, Racine E: An Ethics Action Plan for Rare Disease Care: Participatory Action Research Approach. J Particip Med. 2023 Nov 23;15:e46607. doi: 10.2196/46607. [PubMed:37995128 ]
- Braund H, Dalgarno N, Chan-Nguyen S, Digby G, Haji F, O'Riordan A, Appireddy R: Exploring Patient Advisors' Perceptions of Virtual Care Across Canada: Qualitative Phenomenological Study. J Med Internet Res. 2023 Nov 23;25:e45215. doi: 10.2196/45215. [PubMed:37995127 ]
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